6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one

C13H19N3O3 — CID 62357285

IUPAC6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(CCO)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-15-12(18)5-4-11(14-15)13(19)16-7-2-3-10(9-16)6-8-17/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyYNHFXGVHOXMIQN-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.01
Rot. Bonds3

About 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 62357285) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID62357285
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(CCO)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-15-12(18)5-4-11(14-15)13(19)16-7-2-3-10(9-16)6-8-17/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyYNHFXGVHOXMIQN-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 62357285) is 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCCC(CCO)C2)ccc1=O.
What is the InChIKey of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is YNHFXGVHOXMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-12(18)5-4-11(14-15)13(19)16-7-2-3-10(9-16)6-8-17/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 62357285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).